%chk=000070662.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070662

0 1
 S   -1.890400      -1.531900       2.277400    
 P   -2.076800      -1.262500      0.3576000    
 O   -2.579500      0.1885000     -0.1723000    
 O  -0.7534000      -1.522400     -0.5414000    
 O    4.270600       2.064400      0.5922000    
 O    5.251200      0.2687000     -0.2032000    
 N    4.218100      0.9022000      0.1224000    
 C   -3.898800      0.6329000      9.0200000E-02
 C   -4.083300       2.013400     -0.5211000    
 C   -3.225600      -2.382700     -0.4614000    
 C   0.4684000     -0.9267000     -0.3783000    
 C   -5.475300       2.562700     -0.2659000    
 C   0.5433000      0.3611000      0.1424000    
 C    1.624200      -1.614000     -0.7342000    
 C    2.950600      0.2846000     -4.5899998E-02
 C    1.788000      0.9683000      0.3089000    
 C    2.868800      -1.006600     -0.5675000    
 H   -4.059200      0.6687000       1.172300    
 H   -4.617900     -6.4400002E-02 -0.3489000    
 H   -3.331900       2.699700     -0.1125000    
 H   -3.893000       1.966400      -1.600100    
 H   -2.874100      -3.414700     -0.3683000    
 H   -4.222500      -2.323300     -1.6100001E-02
 H   -3.302100      -2.142500      -1.525800    
 H   -5.670400       2.653900      0.8073000    
 H   -5.579900       3.555000     -0.7156000    
 H   -6.240000       1.910800     -0.7002000    
 H  -0.3373000      0.9262000      0.4237000    
 H    1.564400      -2.619700      -1.140400    
 H    1.813900       1.975700      0.7167000    
 H    3.753200      -1.569500     -0.8549000    


%chk=000070662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070662

0 1
S -2.929736 -1.176283 2.417037
P -2.700764 -1.828408 0.466837
O -3.549174 -0.906259 -0.737304
O -1.033418 -1.948651 -0.173636
O 3.490201 2.354514 1.202108
O 3.635954 2.288386 -1.074405
N 3.114118 1.912457 0.047233
C -3.948129 0.505321 -0.464602
C -2.812917 1.499171 -0.736096
C -3.198613 -3.541566 -0.001999
C -0.046326 -0.954215 -0.072239
C -3.310037 2.955319 -0.591040
C 0.395461 -0.459083 1.182064
C 0.545853 -0.516203 -1.283294
C 2.019325 0.917481 0.005426
C 1.435015 0.488563 1.218466
C 1.592403 0.421279 -1.248093
H -4.307466 0.583907 0.580974
H -4.793654 0.657376 -1.156945
H -1.983993 1.316557 -0.025287
H -2.416421 1.329235 -1.754669
H -2.564790 -4.259052 0.539229
H -4.254577 -3.687933 0.268577
H -3.062033 -3.655165 -1.087940
H -3.696447 3.148783 0.426843
H -2.487442 3.667488 -0.777860
H -4.119345 3.178790 -1.311026
H -0.069156 -0.816760 2.104471
H 0.178922 -0.924879 -2.228893
H 1.804037 0.894319 2.163971
H 2.076449 0.777808 -2.160807


